Crystallography Open Database

Information card for entry 7056315

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Coordinates	7056315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H62 B F24 Mn3 N6 O8
Calculated formula	C77 H62 B F24 Mn3 N6 O8
Title of publication	Synthesis of Pyridine-Alkoxide Ligands for Formation of Polynuclear Complexes
Authors of publication	Shopov, Dimitar Yavorov; Sharninghausen, Liam; Sinha, Shashi Bhushan; Borowski, Julia; Mercado, Brandon; Brudvig, Gary; Crabtree, Robert H.
Journal of publication	New J. Chem.
Year of publication	2017
a	32.9393 ± 0.0014 Å
b	32.2445 ± 0.0014 Å
c	15.9331 ± 0.0011 Å
α	90°
β	94.087 ± 0.007°
γ	90°
Cell volume	16879.7 ± 1.6 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1284
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.1716
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	1.168
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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